RefChem:869032
TL;DR: RefChem:869032 (CAS 68834-00-4) is a chemical compound with molecular formula C15H11Cl2N5O2 and molecular weight 363.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-chloro-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]propanenitrile
Also Known As: Propanenitrile, 3-[[2-chloro-4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]-, 3-((2-Chloro-4-((2-chloro-4-nitrophenyl)azo)phenyl)amino)propiononitrile, Propanenitrile, 3-((2-chloro-4-((2-chloro-4-nitrophenyl)azo)phenyl)amino)-, Propanenitrile, 3-((2-chloro-4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)amino)-, 3-[[2-Chloro-4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]propanenitrile
| Molecular Formula | C15H11Cl2N5O2 |
|---|---|
| Molecular Weight | 363.03 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.029 |
| Heavy Atoms | 24 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 68834-00-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl)NCCC#N |
| InChIKey | GXWOMHNHOZYRMF-UHFFFAOYSA-N |
Product Overview
RefChem:869032 (CAS 68834-00-4), with molecular formula C15H11Cl2N5O2 and molecular weight 363.03 g/mol. IUPAC: 3-[2-chloro-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]propanenitrile.
Chemical Property Profile of RefChem:869032
Property Insights of RefChem:869032
The XLogP value of 5.0 indicates that RefChem:869032 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:869032. Following Lipinski's Rule of Five, RefChem:869032 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:869032?
The CAS number of RefChem:869032 is 68834-00-4.
What is the molecular formula of RefChem:869032?
The molecular formula of RefChem:869032 is C15H11Cl2N5O2.
What is the molecular weight of RefChem:869032?
The molecular weight of RefChem:869032 is 363.03 g/mol.
Where can I buy RefChem:869032?
You can request a quote for RefChem:869032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869032?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.